- InChI
- InChI=1S/C10H20O/c1-8(2)6-9(11)7-10(3,4)5/h8H,6-7H2,1-5H3
- InChI Key
- YTMAMXJFGGHEGY-UHFFFAOYSA-N
- Formula
- C10H20O
- SMILES
- CC(C)CC(=O)CC(C)(C)C
- Molecular Weight1
- 156.27
- CAS
- 40239-19-8
- Other Names
-
- 2,2,6-trimethyl-4-heptanone
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -95.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -376.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.92 | kJ/mol | Joback Calculated Property |
| log10WS | -2.81 | Crippen Calculated Property | |
| logPoct/wat | 3.038 | Crippen Calculated Property | |
| McVol | 153.330 | ml/mol | McGowan Calculated Property |
| Pc | 2293.71 | kPa | Joback Calculated Property |
| Tboil | 478.40 | K | Joback Calculated Property |
| Tc | 665.58 | K | Joback Calculated Property |
| Tfus | 239.81 | K | Joback Calculated Property |
| Vc | 0.585 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [344.76; 429.40] | J/mol×K | [478.40; 665.58] | 
|
| Cp,gas | 344.76 | J/mol×K | 478.40 | Joback Calculated Property |
| Cp,gas | 360.79 | J/mol×K | 509.60 | Joback Calculated Property |
| Cp,gas | 376.01 | J/mol×K | 540.79 | Joback Calculated Property |
| Cp,gas | 390.45 | J/mol×K | 571.99 | Joback Calculated Property |
| Cp,gas | 404.14 | J/mol×K | 603.18 | Joback Calculated Property |
| Cp,gas | 417.12 | J/mol×K | 634.38 | Joback Calculated Property |
| Cp,gas | 429.40 | J/mol×K | 665.58 | Joback Calculated Property |
| η | [0.0002521; 0.0101417] | Pa×s | [239.81; 478.40] |
|
| η | 0.0101417 | Pa×s | 239.81 | Joback Calculated Property |
| η | 0.0035358 | Pa×s | 279.57 | Joback Calculated Property |
| η | 0.0016026 | Pa×s | 319.34 | Joback Calculated Property |
| η | 0.0008655 | Pa×s | 359.11 | Joback Calculated Property |
| η | 0.0005286 | Pa×s | 398.87 | Joback Calculated Property |
| η | 0.0003530 | Pa×s | 438.63 | Joback Calculated Property |
| η | 0.0002521 | Pa×s | 478.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Neopentyl isobutyl ketone.
Sources
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